Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.34 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ARG1 | P05089 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5081028 | 0.91 | HSD11B1 (0.44) | ALOX5HSD11B1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7421923 | 0.80 | CYP2C19 (0.40) | ALOX5EPHX1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3913863 | 0.75 | ALOX5 (0.33) | ALOX5CYP2D6 | |
| SCHEMBL11346600 | 0.72 | CYP2C19 (0.52) | ALOX5EPHX1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL6586703 | 0.72 | CYP2C19 (0.52) | ALOX5EPHX1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL11292307 | 0.72 | CYP4F2 (0.45) | EPHX1SLC1A3SLC1A2SLC1A1HPGD | |
| SCHEMBL3543709 | 0.71 | SLC6A9 (0.40) | HSD11B1 | |
| SCHEMBL27206940 | 0.70 | CYP2C19 (0.36) | ALOX5EPHX1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL1053596 | 0.67 | CYP2C19 (0.45) | ARG1 | |
| SCHEMBL23558591 | 0.66 | JAK2 (0.32) | ALOX5HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0707570-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995000489-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |